SCHEMBL8855293

SCHEMBL8855293

CC(C)(CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.60
MAOB P27338 3/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP4 P27487 1/20 0.47
EGFR P00533 2/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10730192 0.84 PARP10 (0.55) PARP10
Hydrochloric Acid SCHEMBL8855321 0.83 PARP10 (0.54) PARP10
Bromide SCHEMBL8855394 0.81 NPC1 (0.60) ALDH1A1GAAMAPTRAB9A
SCHEMBL2291590 0.80 ADRB2 (0.61) PARP10MAOBALDH1A1GAAMAPT
SCHEMBL11133988 0.79 CASR (0.56) ALDH1A1GAAMAPTRAB9A
Bromide SCHEMBL8855285 0.79 DPP4 (0.50) MAOBRAB9ADPP4
SCHEMBL119689 0.77 PARP10 (1.00) PARP10MAOBNR4A1NR4A2NR4A3
Bromide SCHEMBL11136046 0.77 DPP4 (0.43) MAPTRAB9ASMN1; SMN2DPP4
Hydrochloric Acid SCHEMBL8861530 0.76 PARP10 (0.97) PARP10MAOBALDH1A1MAPTNR4A1
SCHEMBL11746857 0.75 MEN1 (0.55) MAOBMAPTEGFRNR4A1NR4A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691385-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1997-11-25 US disclosed
US-5643967-A ANIMAL GROWTH REGULATORS OF BETA-PHENETHANOLAMINES FOR FEED EFFICIENCY ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5631298-A B-PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1997-05-20 US disclosed
US-4992473-A Beta-phenethanolamines ELI LILLY AND COMPANY (US) 1991-02-12 US disclosed
US-4849453-A ANIMAL GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1989-07-18 US disclosed
US-4734437-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
US-4690951-A B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS ELI LILLY AND COMPANY (US) 1987-09-01 US disclosed
EP-0117647-A1 Improvements in or relating to phenethanolamines ELI LILLY AND COMPANY (US) 1984-09-05 EP disclosed